N-[(4-methoxyphenyl)methyl]-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]acetamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]acetamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]acetamide Traditional Name: 2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-N-p-anisyl-acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H26N4O4/c1-28-18-7-5-17(6-8-18)14-23-20(26)15-29-16-21(27)25-12-10-24(11-13-25)19-4-2-3-9-22-19/h2-9H,10-16H2,1H3,(H,23,26)/p+1